[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C21H27N3O2 — CID 74251376

IUPAC[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-26-16(2)17-5-7-18(8-6-17)20-15-19(9-10-22-20)21(25)24-13-11-23(3)12-14-24/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyCULBITSWVYDZKF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds5

About [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 74251376) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID74251376
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-26-16(2)17-5-7-18(8-6-17)20-15-19(9-10-22-20)21(25)24-13-11-23(3)12-14-24/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyCULBITSWVYDZKF-UHFFFAOYSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
CID 119063293
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 117094329
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
CID 74247537
N-(2-hydroxyethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 117093223

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 74251376) is [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCOC(C)c1ccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)cc1.
What is the InChIKey of [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CULBITSWVYDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-26-16(2)17-5-7-18(8-6-17)20-15-19(9-10-22-20)21(25)24-13-11-23(3)12-14-24/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 74251376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).